SCHEMBL5865101

SCHEMBL5865101

CC([O])c1cccc(-c2ccccc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.53
RXRB P28702 1/20 0.53
RXRG P48443 1/20 0.53
PTPN5 P54829 3/20 0.45
CTSL P07711 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
PTGS2 P35354 2/20 0.44
FAAH O00519 1/20 0.43
MAOA P21397 1/20 0.41
CTSA P10619 1/20 0.41
KMO O15229 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27795673 0.83 RXRA (0.49) RXRARXRBRXRGPTPN5CTSL
SCHEMBL7669035 0.83 RXRA (0.49) RXRARXRBRXRGPTPN5CTSL
SCHEMBL29681626 0.82 RXRA (0.67) RXRARXRBRXRGPTPN5CTSL
SCHEMBL611807 0.82 RXRA (0.67) RXRARXRBRXRGPTPN5CTSL
SCHEMBL14188565 0.80 RXRA (0.65) RXRARXRBRXRGPTPN5CTSL
SCHEMBL5864883 0.79 PTGS2 (0.59) PTGS2
SCHEMBL7374037 0.78 RXRA (0.44) RXRARXRBRXRGPTPN5CTSL
SCHEMBL10145754 0.78 RXRA (0.49) RXRARXRBRXRGPTPN5CTSL
SCHEMBL1252080 0.78 RXRA (0.49) RXRARXRBRXRGPTPN5CTSL
SCHEMBL27616490 0.78 RXRA (0.49) RXRARXRBRXRGPTPN5CTSL

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7125999-B2 Process for producing organotitanium compound and process for addition reaction NISSAN CHEMICAL INDUSTIES, LTD. (JP) 2006-10-24 US disclosed
US-20040167344-A1 Process for producing organotitanium compound and process for addition reaction FUMIE SATO 2004-08-26 US disclosed
US-6743916-B2 REACTING AN ACETYLENE COMPOUND IN THE PRESENCE OF A TITANIUM COMPOUND AND GRIGNARD REAGENT TO OBTAIN ORGANOTITANIUM COMPOUND Sato, Fumie (JP) 2004-06-01 US disclosed
US-20030096996-A1 Process for producing organotitanium compound and process for addition reaction NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2003-05-22 US disclosed
EP-1165500-A1 AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES,TNF-ALPHA,AND AGGRECANASE Du Pont Pharmaceuticals Company (US) 2002-01-02 EP disclosed
WO-2000059874-A1 NOVEL AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES, TNF-α, AND AGGRECANASE DU PONT PHARMACEUTICALS COMPANY (US) 2000-10-12 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040167344-A1 Process for producing organotitanium compound and process for addition reaction ZYX, H1-4, GRIA4 RXRA 577/4885RXRB 604/4885RXRG 656/4885
US-20030096996-A1 Process for producing organotitanium compound and process for addition reaction ZYX, H1-4, GRIA4 RXRA 577/4885RXRB 604/4885RXRG 656/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.